Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd62cc63661f6796aef36b991921dfc7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.045,
"b": 109.792,
"c": 192.957,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.478,1.314],
"number_observations": 1068673,
"number_observations_unique": 307932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.310],
"number_observations": 54142,
"number_observations_unique": 23267,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.317
},
{
"type": "R(meas)",
"value": 9.335
},
{
"type": "R(pim)",
"value": 5.693
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 45.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.470,1.380],
"number_observations": 98674,
"number_observations_unique": 34759,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.540
},
{
"type": "R(meas)",
"value": 5.565
},
{
"type": "R(pim)",
"value": 3.155
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.570,1.470],
"number_observations": 153898,
"number_observations_unique": 44112,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.580
},
{
"type": "R(meas)",
"value": 3.042
},
{
"type": "R(pim)",
"value": 1.593
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.700,1.570],
"number_observations": 157161,
"number_observations_unique": 42102,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.566
},
{
"type": "R(meas)",
"value": 1.826
},
{
"type": "R(pim)",
"value": 0.933
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.860,1.700],
"number_observations": 144999,
"number_observations_unique": 38814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.989
},
{
"type": "R(meas)",
"value": 1.154
},
{
"type": "R(pim)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.080,1.860],
"number_observations": 131102,
"number_observations_unique": 35239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.604
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.400,2.080],
"number_observations": 116723,
"number_observations_unique": 31168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.940,2.400],
"number_observations": 98024,
"number_observations_unique": 26421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.150,2.940],
"number_observations": 73717,
"number_observations_unique": 20486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [47.713,4.150],
"number_observations": 40233,
"number_observations_unique": 11564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}